5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine

C23H19N11 — CID 154658174

IUPAC5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19N11/c1-33-9-7-18(31-33)21-20(14-5-6-17-15(10-14)11-26-29-17)27-22(23(24)28-21)19-13-34(32-30-19)12-16-4-2-3-8-25-16/h2-11,13H,12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyPWSFMBIFINJCJH-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.70
Rot. Bonds5

About 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine

5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (PubChem CID 154658174) has the molecular formula C23H19N11 and a molecular weight of 449.48 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
PubChem CID154658174
Molecular FormulaC23H19N11
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19N11/c1-33-9-7-18(31-33)21-20(14-5-6-17-15(10-14)11-26-29-17)27-22(23(24)28-21)19-13-34(32-30-19)12-16-4-2-3-8-25-16/h2-11,13H,12H2,1H3,(H2,24,28)(H,26,29)
InChIKeyPWSFMBIFINJCJH-UHFFFAOYSA-N
XLogP2.70
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The IUPAC name of 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine (CID 154658174) is 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is Cn1ccc(-c2nc(N)c(-c3cn(Cc4ccccn4)nn3)nc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
The InChIKey is PWSFMBIFINJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N11/c1-33-9-7-18(31-33)21-20(14-5-6-17-15(10-14)11-26-29-17)27-22(23(24)28-21)19-13-34(32-30-19)12-16-4-2-3-8-25-16/h2-11,13H,12H2,1H3,(H2,24,28)(H,26,29).
What are the key properties of 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine?
5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine has a molecular weight of 449.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 154658174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).